(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-Chloro-21-Hydroxy-12,20-Dimethoxy-2,5,9,16-Tetramethyl-8,23-Dioxo-4,24-Dioxa-9,22-Diazatetracyclo[19.3.1.1~10,14~.0~3,5~]Hexacosa-10(26),11,13,16,18-Pentaen-6-Yl (2S)-2-[Methyl(3-Sulfanylpropanoyl)Amino]Propanoate (Non-Preferred Name)
Properties
Property | Value |
---|---|
Formula | C35H48ClN3O10S |
IUPAC Name | mertansine |
Molecular Mass | 738.288 g·mol−1 |
Heat of Formation | -1734.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 11.14 ± 1.08 D |
Volume | 865.21 Å 3 |
Surface Area | 567.45 Å 2 |
HOMO Energy | -8.91 ± 0.55 eV |
LUMO Energy | 2.13 ± eV |
Point Group Symmetry | C1 |
InChIKey | ANZJBCHSOXCCRQ-FKUXLPTCSA-N |
QR Code | Generate QR Code |
Links | PubChem Wikipedia ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C Cl H O N S |